2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide

C18H18ClNO5 — CID 3058399

IUPAC2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(C(=O)c2ccc(OC)c(NC(=O)CCl)c2)c(OC)c1
InChIInChI=1S/C18H18ClNO5/c1-23-12-5-6-13(16(9-12)25-3)18(22)11-4-7-15(24-2)14(8-11)20-17(21)10-19/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyCLNHEDFBJHFUBK-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.12
Rot. Bonds7

About 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide

2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide (PubChem CID 3058399) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide
PubChem CID3058399
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(C(=O)c2ccc(OC)c(NC(=O)CCl)c2)c(OC)c1
InChIInChI=1S/C18H18ClNO5/c1-23-12-5-6-13(16(9-12)25-3)18(22)11-4-7-15(24-2)14(8-11)20-17(21)10-19/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyCLNHEDFBJHFUBK-UHFFFAOYSA-N
XLogP3.12
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide (CID 3058399) is 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide is COc1ccc(C(=O)c2ccc(OC)c(NC(=O)CCl)c2)c(OC)c1.
What is the InChIKey of 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide?
The InChIKey is CLNHEDFBJHFUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-23-12-5-6-13(16(9-12)25-3)18(22)11-4-7-15(24-2)14(8-11)20-17(21)10-19/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide?
2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide has a molecular weight of 363.80 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2,4-dimethoxybenzoyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 3058399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).